5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide

C21H31N3O — CID 141021668

IUPAC5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31N3O/c22-19(25)18-17(23-20(24-18)16-3-1-2-4-16)5-6-21-10-13-7-14(11-21)9-15(8-13)12-21/h13-16H,1-12H2,(H2,22,25)(H,23,24)
InChIKeyNCUNPEIVTLIRMV-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.32
Rot. Bonds5

About 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide

5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide (PubChem CID 141021668) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide
PubChem CID141021668
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31N3O/c22-19(25)18-17(23-20(24-18)16-3-1-2-4-16)5-6-21-10-13-7-14(11-21)9-15(8-13)12-21/h13-16H,1-12H2,(H2,22,25)(H,23,24)
InChIKeyNCUNPEIVTLIRMV-UHFFFAOYSA-N
XLogP4.32
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide (CID 141021668) is 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide is NC(=O)c1nc(C2CCCC2)[nH]c1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide?
The InChIKey is NCUNPEIVTLIRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c22-19(25)18-17(23-20(24-18)16-3-1-2-4-16)5-6-21-10-13-7-14(11-21)9-15(8-13)12-21/h13-16H,1-12H2,(H2,22,25)(H,23,24).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide?
5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 141021668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).